Spektraris NMR
Ilexin A
Common Name: Ilexin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O10/c1-3-16(13-26)17(11-20(28)31-4-2)12-21-33-14-19-24(35-21)22(29)23(30)25(34-19)32-10-9-15-5-7-18(27)8-6-15/h3,5-8,13,17,19,21-25,27,29-30H,4,9-12,14H2,1-2H3/b16-3-/t17?,19-,21-,22-,23-,24-,25-/m1/s1
InChIKey: InChIKey=AYZCBQNBHQBRIG-QOKOOXHRSA-N
Formula: C25H34O10
Molecular Weight: 494.532432
Exact Mass: 494.215197
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zhou, Y.B., Wang, J.H., Li, X.M., Fu, X.C., Yan, Z., Cong, Y., Li, X. Helv Chim Acta (2008) 91, 1244-50
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylethanoids; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 128.5 |
| 2 (CH) | 129.8 |
| 3 (CH) | 115.1 |
| 4 (C) | 155.8 |
| 5 (CH) | 115.1 |
| 6 (CH) | 129.8 |
| 7 (CH2) | 34.9 |
| 8 (CH2) | 70.4 |
| 1' (CH) | 103.4 |
| 2' (CH) | 74.4 |
| 3' (CH) | 73 |
| 4' (CH) | 80.3 |
| 5' (CH) | 65.9 |
| 6' (CH2) | 67.5 |
| 1'' (CH) | 101.1 |
| 2'' (CH2) | 36 |
| 3'' (CH) | 28.9 |
| 4'' (C) | 143 |
| 5'' (CH) | 154.3 |
| 6'' (CH3) | 14.8 |
| 7'' (CH2) | 37.1 |
| 8'' (C) | 171.6 |
| 9'' (CH) | 195.8 |
| 8''a (CH2) | 59.9 |
| 8''b (CH3) | 14.2 |
